Caspofungin Impurity 4

CAT No.

ALN-C066015

CAS No.

Mol. F.

C52H88N10O15

Mol. Wt.

1093.3

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Product Overview

Technical Data

Reference

RFQ

Product Overview

Chemical Name : N-((2R,6S,9S,11R,12S,14aS,16R,20S,23S,25aS)-20-((R)-3-Amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,16-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2′,1′-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide

Smiles : O=C(N[C@H](C(N1[C@H]2C[C@@H](O)C1)=O)[C@H](O)C)[C@@H](NC(CCCCCCCCC(C)CC(C)CC)=O)C[C@@H](O)[C@@H](NCCN)NC([C@@H]3C[C@@H](O)CN3C([C@H]([C@H](O)CCN)NC([C@H]([C@H](O)[C@@H](O)C4=CC=C(O)C=C4)NC2=O)=O)=O)=O

Inchi : InChI=1S/C51H83N7O14/c1-5-29(2)25-30(3)13-10-8-6-7-9-11-15-41(65)54-36-14-12-23-53-49(70)44-39(63)21-24-57(44)51(72)42(38(62)20-22-52)55-48(69)43(46(67)45(66)32-16-18-33(60)19-17-32)56-47(68)37-26-34(61)28-58(37)50(71)35(31(4)59)27-40(36)64/h16-19,29-31,34-39,42-46,59-63,66-67H,5-15,20-28,52H2,1-4H3,(H,53,70)(H,54,65)(H,55,69)(H,56,68)/t29?,30?,31-,34-,35+,36+,37+,38-,39+,42+,43+,44+,45+,46+/m1/s1

Technical Data